Information card for entry 7112015

Structure parameters

• Formula: C18 H16 F2 O2
• Calculated formula: C18 H16 F2 O2
• SMILES: Fc1ccc(C(=O)[C@@H](C)[C@H](C)C(=O)c2ccc(F)cc2)cc1.Fc1ccc(C(=O)[C@H](C)[C@@H](C)C(=O)c2ccc(F)cc2)cc1
• Title of publication: Oxovanadium(V)-induced diastereoselective oxidative homocoupling of boron enolates
• Authors of publication: Toru Amaya; Takaya Masuda; Yusuke Maegawa; Toshikazu Hirao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2279
• a: 11.1477 ± 0.0005 Å
• b: 13.3381 ± 0.0006 Å
• c: 10.5647 ± 0.0005 Å
• α: 90°
• β: 98.775 ± 0.002°
• γ: 90°
• Cell volume: 1552.47 ± 0.12 ų
• Cell temperature: 277 K
• Ambient diffraction temperature: 277 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.4909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No